SCHEMBL8938524

SCHEMBL8938524

Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3Cc1ccc(N(C)C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.57
HTR7 P34969 7/20 0.51
CHRM4 P08173 6/20 0.51
HTR2A P28223 5/20 0.49
HTR2C P28335 2/20 0.49
GRIN2B Q13224 1/20 0.49
DRD2 P14416 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7816009 1.00 HTR2B (0.57) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL8901730 0.98 HTR2B (0.55) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL8684136 0.98 HTR2B (0.55) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL9413335 0.85 HTR2B (0.58) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL7833621 0.83 HTR2B (0.72) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL8684071 0.82 HTR2B (0.58) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL8684280 0.82 HTR2B (0.58) HTR2BHTR7CHRM4HTR2AHTR2C
SCHEMBL8771830 0.78 HTR2B (0.66) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL7818685 0.78 HTR2B (0.71) HTR2BHTR7CHRM4HTR2AHTR2C
Hydrochloric Acid SCHEMBL7808526 0.77 HTR2B (0.68) HTR2BHTR7CHRM4HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538981-A 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONIST ACTIVITY ELI LILLY AND COMPANY (US) 1996-07-23 US claimed
EP-0620223-A2 Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1994-10-19 EP claimed
US-5538981-A 5-HYDROXYTRYPTAMINE RECEPTOR ANTAGONIST ACTIVITY ELI LILLY AND COMPANY (US) 1996-07-23 US disclosed
US-5538980-A CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1996-07-23 US disclosed
US-5488053-A Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1996-01-30 US disclosed
EP-0620223-A2 Tetrahydro-pyrido-indole ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
US-5300645-A Condensation of cycloalkyl-, phenyl- or naphthylpyrrole ethylamines with a 2-oxazolidinone to get antiserotonine agent ELI LILLY AND COMPANY (US) 1994-04-05 US disclosed